SCHEMBL2968162

SCHEMBL2968162

Cc1cc(C)n(CCN2CC3CN(C[C@H](O)COc4ccc(C#N)cc4)CC(C2)O3)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.60
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2968165 1.00 KCNH2 (0.60) KCNH2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2969678 0.85 KCNH2 (0.50) KCNH2
SCHEMBL2966221 0.83 KCNH2 (0.70) KCNH2CYP2C19KDM4EALDH1A1HPGD
SCHEMBL2966219 0.83 KCNH2 (0.70) KCNH2CYP2C19KDM4EALDH1A1HPGD
SCHEMBL3130741 0.80 KCNH2 (0.68) KCNH2CYP2C19KDM4EALDH1A1KMT2A
SCHEMBL3130749 0.80 KCNH2 (0.68) KCNH2CYP2C19KDM4EALDH1A1KMT2A
SCHEMBL2956804 0.80 KCNH2 (0.65) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL5090602 0.80 KCNH2 (0.65) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3605800 0.77 KCNH2 (0.72) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL1619314 0.77 KCNH2 (0.72) KCNH2KDM4EALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US claimed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US claimed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 US disclosed
US-20050119259-A1 Synergistic mixture of anticoagulant and antiarrhythmia agents ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP disclosed
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 EP disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 KCNH2 9/4885CYP1A2 204/4885CYP3A4 673/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885CYP1A2 153/4885CYP3A4 610/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885CYP1A2 250/4885CYP3A4 807/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885CYP1A2 216/4885CYP3A4 808/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 KCNH2 847/4885CYP1A2 142/4885CYP3A4 71/4885
US-20050119259-A1 Synergistic mixture of anticoagulant and antiarrhythmia agents KCNH1, VKORC1, VKORC1L1 KCNH2 50/4885CYP1A2 41/4885CYP3A4 59/4885
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A KCNH2 47/4885CYP1A2 90/4885CYP3A4 89/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.